General Information of the Compound
| Compound ID |
CP0393992
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| Compound Name |
8-amino-6-(3-tert-butyl-4-hydroxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
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| Structure |
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| Formula |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
CC(C)(C)c1cc(ccc1O)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
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| InChI |
InChI=1S/C21H21N5O2/c1-21(2,3)15-11-13(9-10-17(15)27)16-12-25-19(18(22)23-16)24-26(20(25)28)14-7-5-4-6-8-14/h4-12,27H,1-3H3,(H2,22,23)
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| InChIKey |
FQPMECRNRDRAPV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3